(2S)-3-(3-chloranyl-5-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-chloranyl-5-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-chloro-5-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-chloro-5-methoxy-4-pentoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-chloro-5-methoxy-4-pentoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(4-amoxy-3-chloro-5-methoxy-phenyl)-2-phenyl-propionate Formula: C21H24ClO4- MolecularWeight: 375.86586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Cl)CC(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C21H25ClO4/c1-3-4-8-11-26-20-18(22)13-15(14-19(20)25-2)12-17(21(23)24)16-9-6-5-7-10-16/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3,(H,23,24)/p-1/t17-/m0/s1